N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide

C11H18N4 — CID 106754082

IUPACN-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(=N/C(C)(C)C)NN)ccn1
InChIInChI=1S/C11H18N4/c1-8-7-9(5-6-13-8)10(15-12)14-11(2,3)4/h5-7H,12H2,1-4H3,(H,14,15)
InChIKeyORCZRKBWWBVFRG-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.40
Rot. Bonds1

About N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide

N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide (PubChem CID 106754082) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide
PubChem CID106754082
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(=N/C(C)(C)C)NN)ccn1
InChIInChI=1S/C11H18N4/c1-8-7-9(5-6-13-8)10(15-12)14-11(2,3)4/h5-7H,12H2,1-4H3,(H,14,15)
InChIKeyORCZRKBWWBVFRG-UHFFFAOYSA-N
XLogP1.40
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide?
The IUPAC name of N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide (CID 106754082) is N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide?
The canonical SMILES for N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide is Cc1cc(/C(=N/C(C)(C)C)NN)ccn1.
What is the InChIKey of N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide?
The InChIKey is ORCZRKBWWBVFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-7-9(5-6-13-8)10(15-12)14-11(2,3)4/h5-7H,12H2,1-4H3,(H,14,15).
What are the key properties of N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide?
N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide has a molecular weight of 206.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butyl-2-methylpyridine-4-carboximidamide is sourced from PubChem (CID 106754082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).